2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C22H30N4O3 — CID 91903850

IUPAC2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCCn1nccc1C(=O)N1CCCC(COc2ccccc2C(=O)NC(C)C)C1
InChIInChI=1S/C22H30N4O3/c1-4-26-19(11-12-23-26)22(28)25-13-7-8-17(14-25)15-29-20-10-6-5-9-18(20)21(27)24-16(2)3/h5-6,9-12,16-17H,4,7-8,13-15H2,1-3H3,(H,24,27)
InChIKeyHNOFTAKUIZQLLR-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.97
Rot. Bonds7

About 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 91903850) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID91903850
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCCn1nccc1C(=O)N1CCCC(COc2ccccc2C(=O)NC(C)C)C1
InChIInChI=1S/C22H30N4O3/c1-4-26-19(11-12-23-26)22(28)25-13-7-8-17(14-25)15-29-20-10-6-5-9-18(20)21(27)24-16(2)3/h5-6,9-12,16-17H,4,7-8,13-15H2,1-3H3,(H,24,27)
InChIKeyHNOFTAKUIZQLLR-UHFFFAOYSA-N
XLogP2.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 91903850) is 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CCn1nccc1C(=O)N1CCCC(COc2ccccc2C(=O)NC(C)C)C1.
What is the InChIKey of 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is HNOFTAKUIZQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-26-19(11-12-23-26)22(28)25-13-7-8-17(14-25)15-29-20-10-6-5-9-18(20)21(27)24-16(2)3/h5-6,9-12,16-17H,4,7-8,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 91903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).